3-[2-fluoro-5-methoxy-3-(trifluoromethyl)anilino]propane-1,2-diol

C11H13F4NO3 — CID 168596588

IUPAC3-[2-fluoro-5-methoxy-3-(trifluoromethyl)anilino]propane-1,2-diol
SMILESCOc1cc(NCC(O)CO)c(F)c(C(F)(F)F)c1
InChIInChI=1S/C11H13F4NO3/c1-19-7-2-8(11(13,14)15)10(12)9(3-7)16-4-6(18)5-17/h2-3,6,16-18H,4-5H2,1H3
InChIKeyOCJMHWGXKMIELT-UHFFFAOYSA-N
MW283.22 g/mol
LogP1.62
Rot. Bonds5

About 3-[2-fluoro-5-methoxy-3-(trifluoromethyl)anilino]propane-1,2-diol

3-[2-fluoro-5-methoxy-3-(trifluoromethyl)anilino]propane-1,2-diol (PubChem CID 168596588) has the molecular formula C11H13F4NO3 and a molecular weight of 283.22 g/mol. Its IUPAC name is 3-[2-fluoro-5-methoxy-3-(trifluoromethyl)anilino]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-fluoro-5-methoxy-3-(trifluoromethyl)anilino]propane-1,2-diol
PubChem CID168596588
Molecular FormulaC11H13F4NO3
Molecular Weight283.22 g/mol
Exact Mass283.08
IUPAC Name3-[2-fluoro-5-methoxy-3-(trifluoromethyl)anilino]propane-1,2-diol
SMILESCOc1cc(NCC(O)CO)c(F)c(C(F)(F)F)c1
InChIInChI=1S/C11H13F4NO3/c1-19-7-2-8(11(13,14)15)10(12)9(3-7)16-4-6(18)5-17/h2-3,6,16-18H,4-5H2,1H3
InChIKeyOCJMHWGXKMIELT-UHFFFAOYSA-N
XLogP1.62
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.22
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-difluoro-5-methoxy-4-methylanilino)propane-1,2-diol
CID 168593831
3-[2-bromo-4,5-bis(trifluoromethyl)anilino]propane-1,2-diol
CID 168595054
3-[5-methyl-2-(trifluoromethyl)anilino]propane-1,2-diol
CID 168593240
3-[(5-methoxy-1H-indol-7-yl)amino]propane-1,2-diol
CID 168596254
3-(2,5-difluoro-4-methoxyanilino)propane-1,2-diol
CID 115121931
N-(2-ethylbutyl)-4-methoxy-2-(trifluoromethyl)aniline
CID 43678119
[2-fluoro-5-methoxy-3-(trifluoromethyl)phenyl]boronic acid
CID 56776556
3-[2-methyl-4-(2,2,2-trifluoroethoxy)anilino]propane-1,2-diol
CID 168595342
3-[4-amino-2-(3,5-dimethoxyphenyl)anilino]propane-1,2-diol
CID 18371616
3-[4-propan-2-yloxy-3-(trifluoromethyl)anilino]propane-1,2-diol
CID 168593176
methyl 4-methoxy-2,6-bis(trifluoromethyl)benzoate
CID 15370697
methyl 3-(2,3-dihydroxypropylamino)-5-fluoro-4-methoxybenzoate
CID 168594828

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-5-methoxy-3-(trifluoromethyl)anilino]propane-1,2-diol?
The IUPAC name of 3-[2-fluoro-5-methoxy-3-(trifluoromethyl)anilino]propane-1,2-diol (CID 168596588) is 3-[2-fluoro-5-methoxy-3-(trifluoromethyl)anilino]propane-1,2-diol.
What is the SMILES notation for 3-[2-fluoro-5-methoxy-3-(trifluoromethyl)anilino]propane-1,2-diol?
The canonical SMILES for 3-[2-fluoro-5-methoxy-3-(trifluoromethyl)anilino]propane-1,2-diol is COc1cc(NCC(O)CO)c(F)c(C(F)(F)F)c1.
What is the InChIKey of 3-[2-fluoro-5-methoxy-3-(trifluoromethyl)anilino]propane-1,2-diol?
The InChIKey is OCJMHWGXKMIELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4NO3/c1-19-7-2-8(11(13,14)15)10(12)9(3-7)16-4-6(18)5-17/h2-3,6,16-18H,4-5H2,1H3.
What are the key properties of 3-[2-fluoro-5-methoxy-3-(trifluoromethyl)anilino]propane-1,2-diol?
3-[2-fluoro-5-methoxy-3-(trifluoromethyl)anilino]propane-1,2-diol has a molecular weight of 283.22 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-5-methoxy-3-(trifluoromethyl)anilino]propane-1,2-diol is sourced from PubChem (CID 168596588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).